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Chemical structure of Tylosin
Macrolides

Tylosin

泰乐菌素A

PHY-NP-04865 · Natural product research catalog

Catalog numberPHY-NP-04865
CAS number8026-48-0
Molecular formulaC46H77NO17
Molecular weight916.112 g/mol
Chemical classMacrolides
Purity / assayConfirmed in quotation and batch COA

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Product information

Tylosin is listed in the Macrolides section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SMILESCC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
InChIKeyWBPYTXDJUQJLPQ-VMXQISHHSA-N
Subclass / scaffoldTylosins
PubChem CID5280440

Computed properties & structure classification

Exact mass (Da)915.5192Predicted LogP1.8335
Predicted TPSA (Ų)238.67H-bond donors5
H-bond acceptors18Rotatable bonds13
Ring count4Aromatic rings0
Fraction Csp³0.848Synthetic accessibility score6.85
QED score0.131Lipinski rule violations2
NPClassifier pathwayPolyketidesNPClassifier superclassMacrolides
NPClassifier classTylosinsParent SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
Parent formulaC46H77NO17Parent molecular weight916.112
Specified stereocenters21Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceStreptomyces fradiae
LOTUS / Wikidata speciesStreptomyces fradiae(弗雷迪链霉菌)[36];Streptomyces venezuelae(委内瑞拉链霉菌)[2]
Source familiesStreptomycetaceae[2]
LOTUS species records2
LOTUS reference records38
COCONUT occurrence recordsA new engineered strain of Corynebacterium glutamicum [n.a.];Penicillium camembertii;Penicillium clavigerum;Penicillium fuscum;Streptomyces fradiae;Streptomyces venezuelae
COCONUT organism records6
COCONUT identifierCNP0275526.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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